At this juncture, we have to mention and justify the importance of the work. Moreover, it is well-known that at various stages of fruits, different volatile organic compounds (VOCs) are emitted such as esters, mono, and sesquiterpenes, lipid-derived compounds, phenolic derivatives, and amino-acid based compounds, alcohols, etc. Besides, by our olfactory sensor (nose), we can discriminate the ripening stages. Furthermore, with the help of a chemical sensor (electronic nose), it is possible to detect the presence of various VOCs present in the vicinity [1]}, [2]}, [3]}, [4]}, [5]}, [6]}, [7]}. The metal oxide sensors are widely used to detect the presence of particular VOC. In recent days, researchers are involved with two-dimensional and one-dimensional materials as chemical sensors to name a few doped graphenes, carbon nanotubes, etc. However, the exfoliation of group IVA, VA materials to a monolayer or few-layer materials leads to the change of its electronic properties. In the present report, we used one of the group IVA materials, silicene sheets exfoliated from bulk silicon as the base material. We begin the adsorption studies of VOCs of pear fruit such as butyl acetate, butyl butyrate, hexyl acetate, 1-butanol, acetic acid and ethyl acetate on silicene nanosheets using GGA/PBE \(+\)  vdW scheme. Initially, the silicene nanosheet is optimized, and the electronic property exhibits a semiconductor nature. Moreover, a semiconductor nature is a favourable condition for the adsorption of VOCs of pear fruit. Figures REF –REF  demonstrates the interaction of O atom in the ripened stage of aromas, namely butyl acetate, butyl butyrate and hexyl acetate interacted on Si atom in Si-NS and it is mentioned as position R1, R2, and R3, respectively. Similarly, the interaction of the oxygen atom in over-ripened stage aromas such as 1-butanol, acetic acid and ethyl acetate interacted on Si atom in Si-NS material is referred to as position O1, O2, and O3, respectively, as displayed in figures REF –REF .
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